⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3732473 | 0.72 | CRHBP (0.32) | — | |
| SCHEMBL9789898 | 0.71 | — | — | |
| SCHEMBL11415524 | 0.68 | — | — | |
| SCHEMBL18496198 | 0.67 | CRHBP (0.33) | — | |
| SCHEMBL17477617 | 0.67 | MEN1 (0.32) | — | |
| SCHEMBL17477661 | 0.67 | — | — | |
| SCHEMBL9093503 | 0.66 | MMP1 (0.31) | — | |
| SCHEMBL1845987 | 0.63 | HDAC3 (0.31) | — | |
| SCHEMBL7782428 | 0.63 | — | — | |
| SCHEMBL7787240 | 0.62 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6156829-A | Product and process for making quaternized, water soluble vinylpyridine carboxylate polymers | ISP INVESTMENTS INC. (US) | 2000-12-05 | — | — | US | disclosed |
| WO-2000035881-A1 | QUATERNIZED WATER SOLUBLE VINYLPYRIDINE CARBOXYLATE POLYMERS | ISP INVESTMENTS, INC. (US) | 2000-06-22 | — | — | WO | disclosed |